CAS No.38647-10-8,Tripdiolide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38647-10-8
Name:	Tripdiolide
Article Data:	2

Formula:	C₂₀H₂₄O₇
Molecular Weight:	376.406
Synonyms:	Triptolide, 2-hydroxy-, (2-beta)-;NSC 163063;Tripdiolide;Triptodiolide;Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6,10-dihydroxy-8b-methyl-6a-(1-methylethyl)-,[3bS-(3ba,4aa,5aR,6b,6ab,7ab,7ba,8aR,8bb,10b)]-;
Density:	1.56 g/cm³
Melting Point:	226-228 °C
Boiling Point:	656.4 °C at 760 mmHg
Flash Point:	240.5 °C
PSA:	104.35000
LogP:	0.07390

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Specification

The systematic name of Tripdiolide is (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-6,10-dihydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one. With the CAS registry number 38647-10-8, it is also named as Triptolide, 2-hydroxy-, (2-beta)-. The product's category is Miscellaneous Natural Products. In addition, its molecular formula is C₂₀H₂₄O₇ and molecular weight is 376.40.

The other characteristics of Tripdiolide can be summarized as: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 82.35 Å²; (7)Index of Refraction: 1.668; (8)Molar Refractivity: 89.84 cm³; (9)Molar Volume: 240.9 cm³; (10)Polarizability: 35.61×10^-24cm³; (11)Surface Tension: 69.8 dyne/cm; (12)Density: 1.56 g/cm³; (13)Flash Point: 240.5 °C; (14)Melting Point: 226-228 °C; (15)Enthalpy of Vaporization: 110.67 kJ/mol; (16)Boiling Point: 656.4 °C at 760 mmHg; (17)Vapour Pressure: 5.11E-20 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C\1OC/C3=C/1[C@@H](O)C[C@@]4([C@@]62O[C@H]2[C@@H]7O[C@]7(C(C)C)[C@@H](O)[C@]56O[C@H]5C[C@@H]34)C
(2)InChI: InChI=1/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13-,14-,16+,17-,18-,19+,20+/m0/s1
(3)InChIKey: PUJWFVBVNFXCHZ-SQEQANQOBG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	889ug/kg (0.889mg/kg)		National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,