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Substance Name: Trapanin B
RN: 132679-83-5
InChIKey: QOHOAHBOUVTRTF-UHFFFAOYSA-N

Molecular Formula

  • C136-H98-O88

Molecular Weight

  • 3140.1822
 
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Names and Synonyms

Synonym

  • Trapanin B

Systematic Name

  • Trapanin B

Registry Numbers

CAS Registry Number

  • 132679-83-5

System Generated Number

  • 0132679835

Structure Descriptors

InChI

1S/C136H98O88/c137-42-1-26(2-43(138)75(42)155)117(182)217-109-105-63(209-133(198)113(109)221-121(186)30-9-50(145)79(159)51(146)10-30)22-203-123(188)32-12-53(148)81(161)92(172)68(32)72-36(127(192)214-105)19-60(88(168)96(72)176)206-103-40(17-58(153)86(166)100(103)180)131(196)223-115-111(219-119(184)28-5-46(141)77(157)47(142)6-28)107-65(211-135(115)200)24-205-125(190)34-14-55(150)83(163)94(174)70(34)74-38(129(194)216-107)21-62(90(170)98(74)178)208-104-41(18-59(154)87(167)101(104)181)132(197)224-116-112(220-120(185)29-7-48(143)78(158)49(144)8-29)108-66(212-136(116)201)25-204-124(189)33-13-54(149)82(162)93(173)69(33)73-37(128(193)215-108)20-61(89(169)97(73)177)207-102-39(16-57(152)85(165)99(102)179)130(195)222-114-110(218-118(183)27-3-44(139)76(156)45(140)4-27)106-64(210-134(114)199)23-202-122(187)31-11-52(147)80(160)91(171)67(31)71-35(126(191)213-106)15-56(151)84(164)95(71)175/h1-21,63-66,105-116,133-181,198-201H,22-25H2

InChIKey

QOHOAHBOUVTRTF-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC2C3C(COC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)Oc6c(cc(c(c6O)O)O)C(=O)OC7C(C8C(COC(=O)c9cc(c(c(c9-c1c(cc(c(c1O)O)Oc1c(cc(c(c1O)O)O)C(=O)OC1C(C4C(COC(=O)c5cc(c(c(c5-c5c(cc(c(c5O)O)Oc5c(cc(c(c5O)O)O)C(=O)OC5C(C6C(COC(=O)c9cc(c(c(c9-c9c(cc(c(c9O)O)O)C(=O)O6)O)O)O)OC5O)OC(=O)c5cc(c(c(c5)O)O)O)C(=O)O4)O)O)O)OC1O)OC(=O)c1cc(c(c(c1)O)O)O)C(=O)O8)O)O)O)OC7O)OC(=O)c1cc(c(c(c1)O)O)O)C(=O)O3)O)O)O)OC(C2OC(=O)c1cc(c(c(c1)O)O)O)O